Quantum solvent and solute effects in the infrared vibrational echo

Ryo Akiyama, Roger F. Loring

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The infrared echo measurement distinguishes among vibrational line broadening processes according to their time scales. Rigorous computation of the echo signal for a realistic model requires quantum dynamical calculations for large anharmonic systems. The challenges posed by such calculations motivate the use of classical mechanical or semiclassical approximations. The application of such approaches to compute the vibrational echo signal depends on the nature and magnitude of quantum effects on the echo observable. We quantify these effects for a generic model of an anharmonic oscillator coupled to a harmonic solvent in the regimes of classical solvent and classical solute, classical solvent and quantum solute, and quantum solvent and quantum solute.

Original languageEnglish
Pages (from-to)8024-8028
Number of pages5
JournalJournal of Physical Chemistry A
Volume107
Issue number40
DOIs
Publication statusPublished - Oct 9 2003
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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